Information card for entry 4500558

Structure parameters

• Common name: anderson
• Formula: C24 H20 Cr Mo6 N4 Na O34
• Calculated formula: C24 H20 Cr Mo6 N4 Na O34
• SMILES: C(=O)(c1cccnc1)O[Na]OC(=O)c1cccnc1.C(=O)(c1c[nH+]ccc1)O.[Cr]12345[O]6[Mo]78(=O)(=O)O[Mo]9(=O)(=O)(O[Mo]%10(=O)(=O)(O[Mo]%11(=O)(=O)(O[Mo]%12(=O)(=O)(O[Mo]6(=O)(=O)(O7)[O]2%12)[O]4%11)[O]1%10)[O]39)[O]58.O.C(=O)(c1ccc[nH+]c1)O.O
• Title of publication: Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers
• Authors of publication: Singh, Monika; Ramanan, Arunachalam
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3381
• a: 22.084 ± 0.003 Å
• b: 9.4366 ± 0.0011 Å
• c: 21.011 ± 0.003 Å
• α: 90°
• β: 98.517 ± 0.002°
• γ: 90°
• Cell volume: 4330.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No